ChemSpider 2D Image | (3aR,7aS)-7a-Methyl-3a-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexahydro-1H-indene-1,5(4H)-dione | C16H25BO4

(3aR,7aS)-7a-Methyl-3a-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexahydro-1H-indene-1,5(4H)-dione

  • Molecular FormulaC16H25BO4
  • Average mass292.178 Da
  • Monoisotopic mass292.184601 Da
  • ChemSpider ID30660174

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3aR,7aS)-7a-Methyl-3a-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexahydro-1H-inden-1,5(4H)-dion [German] [ACD/IUPAC Name]
(3aR,7aS)-7a-Methyl-3a-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexahydro-1H-indene-1,5(4H)-dione [ACD/IUPAC Name]
(3aR,7aS)-7a-Méthyl-3a-(4,4,5,5-tétraméthyl-1,3,2-dioxaborolan-2-yl)hexahydro-1H-indène-1,5(4H)-dione [French] [ACD/IUPAC Name]
1H-Indene-1,5(4H)-dione, hexahydro-7a-methyl-3a-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, (3aR,7aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 372.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 179.2±27.9 °C
Index of Refraction: 1.493
Molar Refractivity: 77.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 53 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 36.3±5.0 dyne/cm
Molar Volume: 265.9±5.0 cm3

Click to predict properties on the Chemicalize site


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